N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C22H23N3O3 — CID 17481644

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cc(C(C)(C)C)ccc2O)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-14-12-19(27)20(24-25(14)16-8-6-5-7-9-16)21(28)23-17-13-15(22(2,3)4)10-11-18(17)26/h5-13,26H,1-4H3,(H,23,28)
InChIKeyMSERNKKGMPFWMZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.80
Rot. Bonds3

About N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 17481644) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID17481644
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cc(C(C)(C)C)ccc2O)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-14-12-19(27)20(24-25(14)16-8-6-5-7-9-16)21(28)23-17-13-15(22(2,3)4)10-11-18(17)26/h5-13,26H,1-4H3,(H,23,28)
InChIKeyMSERNKKGMPFWMZ-UHFFFAOYSA-N
XLogP3.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51073720
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N-(5-chloro-2-hydroxyphenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55436427
N-(2-fluoro-5-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 36670494
N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 86912856
6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8810913
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-(2-fluorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27825520
N-(2-chlorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27824744
6-methyl-4-oxo-1-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 35568218
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9090833

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 17481644) is N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cc(C(C)(C)C)ccc2O)nn1-c1ccccc1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is MSERNKKGMPFWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-12-19(27)20(24-25(14)16-8-6-5-7-9-16)21(28)23-17-13-15(22(2,3)4)10-11-18(17)26/h5-13,26H,1-4H3,(H,23,28).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 17481644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).